• 文献标题:   Determining porosity effect on the thermal conductivity of single-layer graphene using a molecular dynamics simulation
  • 文献类型:   Article
  • 作  者:   FANG TH, LEE ZW, CHANG WJ, HUANG CC
  • 作者关键词:   nanoporous graphene, thermal conductivity, molecular dynamic
  • 出版物名称:   PHYSICA ELOWDIMENSIONAL SYSTEMS NANOSTRUCTURES
  • ISSN:   1386-9477 EI 1873-1759
  • 通讯作者地址:   Kun Shan Univ
  • 被引频次:   4
  • DOI:   10.1016/j.physe.2018.10.017
  • 出版年:   2019

▎ 摘  要

We investigated the effect of porosity on the thermal conductivity of armchair and zigzag nanoporous graphene (NPG) by using a nonequilibrium molecular dynamics approach. The thermal conductivity values of the NPG were calculated for porosities of P = 0%, 3.6%, 6.6%, 14.7%, and 24.7% at different temperatures. The simulation revealed that the thermal conductivity of armchair graphene with P = 0% is larger than that of zigzag graphene at 100 K. However, the trend is reversed for the other cases of graphene with pores. In addition, a steep decrease in the thermal conductivity of both types of NPG with a lower porosity is evident at 300 K. Thermal conductivity decreases slowly for a higher porosity. The results are important for understanding nanopore scattering in two-dimensional systems and for practical applications of NPGs in thermal management.